Potassium trisphosphonomethylamine oxide

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  • Identifiers

    CAS number
    221249-87-2

    Molecular formula
    C3H9K3NO10P3

    SMILES
    C([N+](CP(=O)(O)[O-])(CP(=O)(O)[O-])[O-])P(=O)(O)[O-].[K+].[K+].[K+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.13%
    Sweet 27.32%
    Clean 17.92%
    Savory 16.64%
    Fatty 12.72%
    Bitter 12.7%
    Sour 12.6%
    Oily 12.16%
    Balsamic 12.15%
    Fishy 12.13%

     

    Flavor
    Odorless 67.46%
    Mild 29.85%
    Bland 29.48%
    Very mild 20.74%
    Yeast 20.72%
    Faint 20.18%
    Sweet-like 20.12%
    Sour 18.83%
    Mousy 18.41%
    Rotten 18.38%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -6.51 (strong acid)

    Molecular weight
    429.32 g/mol

    Flash point

    • -833.13 ˚C est.

  • Synonyms

    • Sequion CLR
    • Potassium trisphosphonomethylamine oxide
    • UNII-FLR8103G8R
    • FLR8103G8R
    • Potassium trisphosphonomethylamine oxide [INCI]
    • 221249-87-2
    • Phosphonic acid, ((oxidonitrilo)tris(methylene))tris-, tripotassium salt
    • DTXSID30176646
    • RefChem:175638
    • DTXCID7099137
    • Q27278057
    • Tripotassium [nitroryltris(methylene)]tris[hydrogen (phosphonate)]
    • 221249-87-2

  • Applications

    Potassium trisphosphonomethylamine oxide (CAS number: 221249-87-2) is a phosphorus-containing phosphonate used as a chelating/sequestering agent in a range of formulations. In water treatment, it can act as a scale and corrosion inhibitor by binding metal ions in process waters, while in cleaning products it functions as a sequestering agent to improve performance by binding metals. In polymer and plastics processing, it may serve as a stabilizer and dispersant, helping to control metal-catalyzed degradation and improve pigment and filler dispersion. In coatings and inks, it may be employed as a chelating additive to enhance formulation stability and metal ion management. Additionally, it can be used as an intermediate in the synthesis of other phosphonate-based additives used in downstream industries. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.52
    methanol 8.8
    isopropanol 1.99
    water 65.84
    ethyl acetate 2.61
    n-propanol 2.64
    acetone 5.41
    n-butanol 1.88
    acetonitrile 4.67
    DMF 54.17
    toluene 1.41
    isobutanol 1.52
    1,4-dioxane 3.89
    methyl acetate 2.65
    THF 7.8
    2-butanone 2.83
    n-pentanol 1.06
    sec-butanol 1.47
    n-hexane 0.24
    ethylene glycol 21.31
    NMP 98.55
    cyclohexane 0.53
    DMSO 54.16
    n-butyl acetate 2.78
    n-octanol 1.06
    chloroform 0.68
    n-propyl acetate 1.57
    acetic acid 9.06
    dichloromethane 1.56
    cyclohexanone 4.89
    propylene glycol 13.42
    isopropyl acetate 1.62
    DMAc 42.18
    2-ethoxyethanol 8.67
    isopentanol 1.16
    n-heptane 0.77
    ethyl formate 3.95
    1,2-dichloroethane 1.68
    n-hexanol 2.42
    2-methoxyethanol 24.8
    isobutyl acetate 0.73
    tetrachloromethane 0.24
    n-pentyl acetate 1.69
    transcutol 13.93
    n-heptanol 1.72
    ethylbenzene 0.59
    MIBK 1.53
    2-propoxyethanol 17.64
    tert-butanol 1.87
    MTBE 0.73
    2-butoxyethanol 8.5
    propionic acid 5.73
    o-xylene 1.63
    formic acid 39.01
    diethyl ether 1.34
    m-xylene 1.41
    p-xylene 0.69
    chlorobenzene 0.69
    dimethyl carbonate 8.02
    n-octane 0.26
    formamide 52.2
    cyclopentanone 9.38
    2-pentanone 2.92
    anisole 1.23
    cyclopentyl methyl ether 3.81
    gamma-butyrolactone 19.63
    1-methoxy-2-propanol 17.63
    pyridine 4.53
    3-pentanone 2.83
    furfural 26.23
    n-dodecane 0.15
    diethylene glycol 36.23
    diisopropyl ether 0.59
    tert-amyl alcohol 1.39
    acetylacetone 4.9
    n-hexadecane 0.16
    acetophenone 2.88
    methyl propionate 5.62
    isopentyl acetate 1.6
    trichloroethylene 1.8
    n-nonanol 1.09
    cyclohexanol 2.0
    benzyl alcohol 2.27
    2-ethylhexanol 1.3
    isooctanol 0.95
    dipropyl ether 2.51
    1,2-dichlorobenzene 0.89
    ethyl lactate 5.77
    propylene carbonate 7.66
    n-methylformamide 27.52
    2-pentanol 1.19
    n-pentane 0.38
    1-propoxy-2-propanol 11.62
    1-methoxy-2-propyl acetate 7.23
    2-(2-methoxypropoxy) propanol 7.73
    mesitylene 1.04
    ε-caprolactone 5.73
    p-cymene 1.19
    epichlorohydrin 6.83
    1,1,1-trichloroethane 0.44
    2-aminoethanol 16.79
    morpholine-4-carbaldehyde 48.44
    sulfolane 47.32
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 2.8
    n-hexyl acetate 1.55
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 9.18
    sec-butyl acetate 0.83
    tert-butyl acetate 1.6
    decalin 0.19
    glycerin 50.38
    diglyme 13.39
    acrylic acid 11.05
    isopropyl myristate 0.78
    n-butyric acid 4.38
    acetyl acetate 1.79
    di(2-ethylhexyl) phthalate 1.52
    ethyl propionate 2.22
    nitromethane 19.44
    1,2-diethoxyethane 2.27
    benzonitrile 2.09
    trioctyl phosphate 1.42
    1-bromopropane 0.73
    gamma-valerolactone 23.05
    n-decanol 0.89
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.67
    propionitrile 2.51
    vinylene carbonate 7.99
    1,1,2-trichlorotrifluoroethane 15.66
    DMS 3.23
    cumene 0.49
    2-octanol 0.81
    2-hexanone 1.25
    octyl acetate 1.14
    limonene 1.45
    1,2-dimethoxyethane 7.06
    ethyl orthosilicate 2.05
    tributyl phosphate 1.5
    diacetone alcohol 4.85
    N,N-dimethylaniline 2.21
    acrylonitrile 6.01
    aniline 2.84
    1,3-propanediol 9.07
    bromobenzene 0.55
    dibromomethane 0.93
    1,1,2,2-tetrachloroethane 1.84
    2-methyl-cyclohexyl acetate 1.91
    tetrabutyl urea 3.5
    diisobutyl methanol 0.89
    2-phenylethanol 2.9
    styrene 0.57
    dioctyl adipate 1.48
    dimethyl sulfate 20.58
    ethyl butyrate 2.78
    methyl lactate 19.41
    butyl lactate 5.07
    diethyl carbonate 1.9
    propanediol butyl ether 8.06
    triethyl orthoformate 2.65
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 4.72
    morpholine 6.56
    tert-butylamine 1.07
    n-dodecanol 0.7
    dimethoxymethane 16.31
    ethylene carbonate 5.21
    cyrene 15.71
    2-ethoxyethyl acetate 3.0
    2-ethylhexyl acetate 1.41
    1,2,4-trichlorobenzene 1.04
    4-methylpyridine 3.56
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.89
    DEF 8.91
    dimethyl isosorbide 16.34
    tetrachloroethylene 1.34
    eugenol 7.66
    triacetin 3.63
    span 80 6.7
    1,4-butanediol 4.14
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 0.64
    methyl formate 18.34
    2-methyl-1-butanol 1.24
    n-decane 0.24
    butyronitrile 1.85
    3,7-dimethyl-1-octanol 0.79
    1-chlorooctane 0.45
    1-chlorotetradecane 0.25
    n-nonane 0.24
    undecane 0.18
    tert-butylcyclohexane 0.12
    cyclooctane 0.39
    cyclopentanol 3.18
    tetrahydropyran 1.72
    tert-amyl methyl ether 1.03
    2,5,8-trioxanonane 12.39
    1-hexene 0.37
    2-isopropoxyethanol 3.72
    2,2,2-trifluoroethanol 11.03
    methyl butyrate 2.62

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction